(2S)-2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide

C15H16ClN3O3S — CID 110347969

IUPAC(2S)-2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1Cl)C(=O)NCc1cccnc1
InChIInChI=1S/C15H16ClN3O3S/c1-11(15(20)18-10-12-5-4-8-17-9-12)19-23(21,22)14-7-3-2-6-13(14)16/h2-9,11,19H,10H2,1H3,(H,18,20)/t11-/m0/s1
InChIKeyBZYZTLJCNHNUGO-NSHDSACASA-N
MW353.83 g/mol
LogP1.72
Rot. Bonds6

About (2S)-2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide

(2S)-2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 110347969) has the molecular formula C15H16ClN3O3S and a molecular weight of 353.83 g/mol. Its IUPAC name is (2S)-2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID110347969
Molecular FormulaC15H16ClN3O3S
Molecular Weight353.83 g/mol
Exact Mass353.06
IUPAC Name(2S)-2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1Cl)C(=O)NCc1cccnc1
InChIInChI=1S/C15H16ClN3O3S/c1-11(15(20)18-10-12-5-4-8-17-9-12)19-23(21,22)14-7-3-2-6-13(14)16/h2-9,11,19H,10H2,1H3,(H,18,20)/t11-/m0/s1
InChIKeyBZYZTLJCNHNUGO-NSHDSACASA-N
XLogP1.72
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-chlorophenyl)sulfonylamino]-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 110348931
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 110347968
(2S)-2-(ethylsulfonylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 110347921
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 24538493
(2S)-3-methyl-2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)butanamide
CID 110348930
(2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 110347926
(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 126393592
N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 44998655
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide
CID 88670625
(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 18655127
(2S)-2-(dimethylsulfamoylamino)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 110348899

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of (2S)-2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide (CID 110347969) is (2S)-2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide is C[C@H](NS(=O)(=O)c1ccccc1Cl)C(=O)NCc1cccnc1.
What is the InChIKey of (2S)-2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is BZYZTLJCNHNUGO-NSHDSACASA-N. The full InChI is InChI=1S/C15H16ClN3O3S/c1-11(15(20)18-10-12-5-4-8-17-9-12)19-23(21,22)14-7-3-2-6-13(14)16/h2-9,11,19H,10H2,1H3,(H,18,20)/t11-/m0/s1.
What are the key properties of (2S)-2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide?
(2S)-2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 353.83 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 110347969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).